7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline; 2,4,6-trinitrophenol

Systemtic Name: 7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline; 2,4,6-trinitrophenol Openeye Name: 6-benzyloxy-7-methoxy-3,4-dihydroisoquinoline; picric acid CAS Name: 7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline; 2,4,6-trinitrophenol IUPAC Name: 7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline; 2,4,6-trinitrophenol Traditional Name: 6-benzoxy-7-methoxy-3,4-dihydroisoquinoline; picric acid Formula: C23H20N4O9 MolecularWeight: 496.4263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCN=CC2=C1)OCC3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C2CCN=CC2=C1)OCC3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17NO2.C6H3N3O7/c1-19-16-10-15-11-18-8-7-14(15)9-17(16)20-12-13-5-3-2-4-6-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-6,9-11H,7-8,12H2,1H3;1-2,10H